2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone

C24H34N6O — CID 92566682

IUPAC2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1
InChIInChI=1S/C24H34N6O/c1-28-17-20(21-10-11-25-24(26-21)29-12-4-5-13-29)23(27-28)19-9-6-14-30(16-19)22(31)15-18-7-2-3-8-18/h10-11,17-19H,2-9,12-16H2,1H3/t19-/m1/s1
InChIKeyFQGNRQFRRRMAKT-LJQANCHMSA-N
MW422.58 g/mol
LogP3.76
Rot. Bonds5

About 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 92566682) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
PubChem CID92566682
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1
InChIInChI=1S/C24H34N6O/c1-28-17-20(21-10-11-25-24(26-21)29-12-4-5-13-29)23(27-28)19-9-6-14-30(16-19)22(31)15-18-7-2-3-8-18/h10-11,17-19H,2-9,12-16H2,1H3/t19-/m1/s1
InChIKeyFQGNRQFRRRMAKT-LJQANCHMSA-N
XLogP3.76
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 92566665
2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 110224817
1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 92566750
[(1R)-cyclohex-3-en-1-yl]-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 92566736
2-cyclopentyl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343767
4-[3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 92566725
2-(2-methoxyphenyl)-1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 92566763
2-(3-fluorophenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 92566757
(2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 92582613
1-[2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 110236128
2-cyclohexyl-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110243927
(3-methoxyphenyl)-[2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110236146

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone (CID 92566682) is 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone is Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1.
What is the InChIKey of 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is FQGNRQFRRRMAKT-LJQANCHMSA-N. The full InChI is InChI=1S/C24H34N6O/c1-28-17-20(21-10-11-25-24(26-21)29-12-4-5-13-29)23(27-28)19-9-6-14-30(16-19)22(31)15-18-7-2-3-8-18/h10-11,17-19H,2-9,12-16H2,1H3/t19-/m1/s1.
What are the key properties of 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 422.58 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92566682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).